SCHEMBL5520117

SCHEMBL5520117

CN(Cc1ccccc1)C(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c(O)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5528102 0.86 SMN1; SMN2 (0.48) KMT2AHTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL5530855 0.86 KMT2A (0.56) KMT2AHTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL5521827 0.86 ALDH1A1 (0.53) ATMALDH1A1
SCHEMBL5522924 0.84 POLB (0.41) KMT2AHTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL5518068 0.84 HSP90AA1 (0.40) KMT2AHTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL5517436 0.83 SMN1; SMN2 (0.39) KMT2AHTTSMN1; SMN2ATMMAPT
SCHEMBL5525595 0.83 SMN1; SMN2 (0.43) KMT2AHTTSMN1; SMN2ATMLMNA
SCHEMBL5515940 0.83 TDP1 (0.41) KMT2AHTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL5519504 0.83 RAB9A (0.44) KMT2AHTTSMN1; SMN2ATMTP53
SCHEMBL5521910 0.83 ALDH1A1 (0.42) HTTSMN1; SMN2LMNAMAPTRXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P, ANGELETTI S.P.A. (IT) 2007-07-05 US claimed
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P, ANGELETTI S.P.A. (IT) 2007-07-05 US disclosed
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P, ANGELETTI S.P.A. (IT) 2007-07-05 US disclosed
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P, ANGELETTI S.P.A. (IT) 2007-07-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070155744-A1 N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors DUT, NQO2, TYMP KMT2A 469/4885HTT 3870/4885SMN1; SMN2 3683/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.